2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

C8H6Br2N6O — CID 135736398

IUPAC2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(/C=N/Nc2nn[nH]n2)cc1Br
InChIInChI=1S/C8H6Br2N6O/c9-5-1-4(2-6(10)7(5)17)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)/b11-3+
InChIKeyCKZDWLJGPRACOW-QDEBKDIKSA-N
MW361.99 g/mol
LogP1.88
Rot. Bonds3

About 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (PubChem CID 135736398) has the molecular formula C8H6Br2N6O and a molecular weight of 361.99 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
PubChem CID135736398
Molecular FormulaC8H6Br2N6O
Molecular Weight361.99 g/mol
Exact Mass359.90
IUPAC Name2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(/C=N/Nc2nn[nH]n2)cc1Br
InChIInChI=1S/C8H6Br2N6O/c9-5-1-4(2-6(10)7(5)17)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)/b11-3+
InChIKeyCKZDWLJGPRACOW-QDEBKDIKSA-N
XLogP1.88
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
2-chloro-6-methoxy-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136742487
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
2,4-dibromo-6-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
CID 7101775
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
CID 7202940
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (CID 135736398) is 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is Oc1c(Br)cc(/C=N/Nc2nn[nH]n2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The InChIKey is CKZDWLJGPRACOW-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H6Br2N6O/c9-5-1-4(2-6(10)7(5)17)3-11-12-8-13-15-16-14-8/h1-3,17H,(H2,12,13,14,15,16)/b11-3+.
What are the key properties of 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol has a molecular weight of 361.99 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135736398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).